3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide

C21H26N2O2 — CID 118772337

IUPAC3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(c3ccccc3C)CC2)cc1OCCCN
InChIInChI=1S/C21H26N2O2/c1-15-6-3-4-7-18(15)21(10-11-21)23-20(24)17-9-8-16(2)19(14-17)25-13-5-12-22/h3-4,6-9,14H,5,10-13,22H2,1-2H3,(H,23,24)
InChIKeyDANJNSUFVPQSDQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.45
Rot. Bonds7

About 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide

3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide (PubChem CID 118772337) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide
PubChem CID118772337
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(c3ccccc3C)CC2)cc1OCCCN
InChIInChI=1S/C21H26N2O2/c1-15-6-3-4-7-18(15)21(10-11-21)23-20(24)17-9-8-16(2)19(14-17)25-13-5-12-22/h3-4,6-9,14H,5,10-13,22H2,1-2H3,(H,23,24)
InChIKeyDANJNSUFVPQSDQ-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 118768901
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
acetic acid;3-(3-aminopropoxy)-N-[2-(dimethylsulfamoyl)ethyl]-4-methylbenzamide
CID 154903818
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
CID 118774604
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide?
The IUPAC name of 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide (CID 118772337) is 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide?
The canonical SMILES for 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide is Cc1ccc(C(=O)NC2(c3ccccc3C)CC2)cc1OCCCN.
What is the InChIKey of 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide?
The InChIKey is DANJNSUFVPQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-3-4-7-18(15)21(10-11-21)23-20(24)17-9-8-16(2)19(14-17)25-13-5-12-22/h3-4,6-9,14H,5,10-13,22H2,1-2H3,(H,23,24).
What are the key properties of 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide?
3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 118772337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).